S1-S2 Conical intersection and ultrafast S2→S1 Internal conversion in pyrazine

R. Schneider; W. Domcke

doi:10.1016/0009-2614(88)80034-4

S₁-S₂ Conical intersection and ultrafast S₂→S₁ Internal conversion in pyrazine

R. Schneider, W. Domcke

TUM Emeriti of Excellence

Technical University of Munich

Research output: Contribution to journal › Article › peer-review

99 Scopus citations

Abstract

A low-lying conical intersection of the S₁ and S₂ potential energy surfaces of pyrazine is identified and modelled by a two-state three-mode vibronic coupling Hamiltonian. The quantum dynamics of this model is studied. The results explain qualitatively the essentially structureless bandshape of the S₂ absorption spectrum and reveal details about the femtosecond population decay of the S₂ state.

Original language	English
Pages (from-to)	235-242
Number of pages	8
Journal	Chemical Physics Letters
Volume	150
Issue number	3-4
DOIs	https://doi.org/10.1016/0009-2614(88)80034-4
State	Published - 16 Sep 1988

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title = "S1-S2 Conical intersection and ultrafast S2→S1 Internal conversion in pyrazine",

abstract = "A low-lying conical intersection of the S1 and S2 potential energy surfaces of pyrazine is identified and modelled by a two-state three-mode vibronic coupling Hamiltonian. The quantum dynamics of this model is studied. The results explain qualitatively the essentially structureless bandshape of the S2 absorption spectrum and reveal details about the femtosecond population decay of the S2 state.",

author = "R. Schneider and W. Domcke",

note = "Funding Information: The authorsw ould like to thank Horst Koppel; (Universityo f Heidelberg)f or stimulatingd iscus-sions and help with the numericalc alculations. Financial supportb y the DeutscheF orschungsge-meinschafits gratefullya cknowledged.",

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T1 - S1-S2 Conical intersection and ultrafast S2→S1 Internal conversion in pyrazine

AU - Schneider, R.

AU - Domcke, W.

N1 - Funding Information: The authorsw ould like to thank Horst Koppel; (Universityo f Heidelberg)f or stimulatingd iscus-sions and help with the numericalc alculations. Financial supportb y the DeutscheF orschungsge-meinschafits gratefullya cknowledged.

PY - 1988/9/16

Y1 - 1988/9/16

N2 - A low-lying conical intersection of the S1 and S2 potential energy surfaces of pyrazine is identified and modelled by a two-state three-mode vibronic coupling Hamiltonian. The quantum dynamics of this model is studied. The results explain qualitatively the essentially structureless bandshape of the S2 absorption spectrum and reveal details about the femtosecond population decay of the S2 state.

AB - A low-lying conical intersection of the S1 and S2 potential energy surfaces of pyrazine is identified and modelled by a two-state three-mode vibronic coupling Hamiltonian. The quantum dynamics of this model is studied. The results explain qualitatively the essentially structureless bandshape of the S2 absorption spectrum and reveal details about the femtosecond population decay of the S2 state.

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U2 - 10.1016/0009-2614(88)80034-4

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M3 - Article

AN - SCOPUS:0001644614

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VL - 150

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EP - 242

JO - Chemical Physics Letters

JF - Chemical Physics Letters

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ER -

S₁-S₂ Conical intersection and ultrafast S₂→S₁ Internal conversion in pyrazine

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